SCHEMBL6739725

SCHEMBL6739725

Nc1ccc(N)c(CNc2ccc(N)c(CCO)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 1/20 0.37
EGFR P00533 6/20 0.33
MAPT P10636 2/20 0.32
FCGR3B O75015 1/20 0.32
FCGR1A P12314 1/20 0.32
FCGR2A P12318 1/20 0.32
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
ARG1 P05089 1/20 0.30
NOX4 Q9NPH5 2/20 0.30
RGS12 O14924 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LCK P06239 1/20 0.30
CAMKK2 Q96RR4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL6271307 0.98 ADRA2B (0.36) ADRA2BEGFRMAPTFCGR3BFCGR1A
Hydrochloric Acid SCHEMBL6740557 0.92 ADRA2B (0.33) ADRA2B
SCHEMBL6141584 0.91 EGFR (0.45) EGFRMAPTNOX4RGS12ALDH1A1
SCHEMBL6739060 0.91 ADRA2B (0.38) ADRA2BEGFRMAPTFCGR3BFCGR1A
Hydrochloric Acid SCHEMBL2984737 0.90 EGFR (0.44) EGFRMAPTNOX4RGS12ALDH1A1
SCHEMBL6141858 0.86 ARG1 (0.39) MAPTFCGR3BFCGR1AFCGR2AARG1
SCHEMBL6740519 0.86 ADRA2B (0.31) ADRA2B
Hydrochloric Acid SCHEMBL2991043 0.85 ARG1 (0.38) MAPTFCGR3BFCGR1AFCGR2AARG1
SCHEMBL6141590 0.84 MAPT (0.41) EGFRMAPTNOX4
SCHEMBL6141816 0.83 ARG1 (0.36) MAPTARG1ALDH1A1TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6685751-B2 SUCH AS 2-((2-AMINO-PHENYLAMINO)-METHYL)-1,4-DIAMINOBENZENE; HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 2004-02-03 US claimed
US-6602302-B1 Mixtures of carbocyclic amines such as 2-((2-aminophenylamino) -methyl)-1,4-diaminobenzene, couplers and developers, having photostability, wash and colorfastness, used for dyeing human hair WELLA AG (DE) 2003-08-05 US claimed
US-20030110578-A1 Substituted 1,4-diaminobenzene compounds and oxidation dye precursor compositions containing same WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2003-06-19 US claimed
EP-1108708-B1 1,4-Diaminobenzene derivatives and colouring agents containing these compounds WELLA AG (DE) 2003-01-08 EP claimed
EP-1108708-A1 1,4-Diaminobenzene derivatives and colouring agents containing these compounds Wella Aktiengesellschaft (DE) 2001-06-20 EP claimed
US-6685751-B2 SUCH AS 2-((2-AMINO-PHENYLAMINO)-METHYL)-1,4-DIAMINOBENZENE; HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 2004-02-03 US disclosed
US-6602302-B1 Mixtures of carbocyclic amines such as 2-((2-aminophenylamino) -methyl)-1,4-diaminobenzene, couplers and developers, having photostability, wash and colorfastness, used for dyeing human hair WELLA AG (DE) 2003-08-05 US disclosed
US-20030110578-A1 Substituted 1,4-diaminobenzene compounds and oxidation dye precursor compositions containing same WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2003-06-19 US disclosed
EP-1108708-B1 1,4-Diaminobenzene derivatives and colouring agents containing these compounds WELLA AG (DE) 2003-01-08 EP disclosed
EP-1108708-A1 1,4-Diaminobenzene derivatives and colouring agents containing these compounds Wella Aktiengesellschaft (DE) 2001-06-20 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030110578-A1 Substituted 1,4-diaminobenzene compounds and oxidation dye precursor compositions containing same KRT18, AOC1, DAO ADRA2B 2700/4885EGFR 1114/4885MAPT 2345/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.